Lizard

Hi all How to generate wannier90 hr file and amn files? Best Lizard

Hello, I want to calculate band structure + AHC. How to choose the number of num_wann and num_bands using ELK data? Lizard

Hi Everyone, Any advice how to create 3D plot of a band structure in ELK? It means, for example, axis x == kx, y = ky and z = E ? Please look at attached figure. Best Lizard

Hi Do you know any good tool to generate automatic k-points path? thanks Lizard

Hi Do you know any good tool to generate automatic k-points path? thanks Lizard

Hi All, 1) How to resume AFM calculation? I try to use low value either of bfcmt or bfieldc with reducebf but it does not work. The same, when I want to do calculations using finer k-mesh for FS, magnetic moments disapear on magnetic atoms. 2) Do Hybrid functional calculations work using libxc with magnetism? thank you! Lizard

Hi, any sugestions on make.inc to install elk on Cray XC40 with the best performance? (Intel MKL ) Thank Lizard

Hi, How did Roman get the value -0.0937 for s states using: E0_0001: E( 0)= -0.2220, OVERALL ENERGY PARAMETER IS 0.1015, and FER : F E R M I - ENERGY(GAUSS-.M.)= 0.47495? best regards Lizard